Drug Information

Drug General Information
Drug ID
D0T4AN
Former ID
DNC005839
Drug Name
4-(4-Butoxy-phenyl)-N-hydroxy-4-oxo-butyramide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527800]
Structure
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2D MOL

3D MOL
Formula
C14H19NO4
Canonical SMILES
CCCCOC1=CC=C(C=C1)C(=O)CCC(=O)NO
InChI
1S/C14H19NO4/c1-2-3-10-19-12-6-4-11(5-7-12)13(16)8-9-14(17)15-18/h4-7,18H,2-3,8-10H2,1H3,(H,15,17)
InChIKey
SFIUVAFWSBUQJK-UHFFFAOYSA-N
PubChem Compound ID
44404521
Target and Pathway
Target(s) Interstitial collagenase Target Info Inhibitor [527800]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritis
NetPath Pathway IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
WikiPathways TGF beta Signaling Pathway
Bladder Cancer
Activation of Matrix Metalloproteinases
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Oncostatin M Signaling Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix Metalloproteinases
References
Ref 527800J Med Chem. 2005 Oct 20;48(21):6585-96.Receptor flexibility in de novo ligand design and docking.
Ref 527800J Med Chem. 2005 Oct 20;48(21):6585-96.Receptor flexibility in de novo ligand design and docking.

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